1-[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(4-methoxyphenyl)ethan-1-one
1-[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | S988-1170 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 446.51 |
| Molecular Formula: | C25 H26 N4 O4 |
| Smiles: | Cc1nc([C@@]23CN(C[C@H]3CN(C2)C(c2ccccc2)=O)C(Cc2ccc(cc2)OC)=O)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3511 |
| logD: | 2.3511 |
| logSw: | -2.4812 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.036 |
| InChI Key: | NUDAGHZASQEEBK-NLFFAJNJSA-N |